Search results for: direct numerical simulations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7786

Search results for: direct numerical simulations

5716 Numerical Investigation of the Diffuser: Geometrical Parameters Effect on Flow Characteristics for Diffuser Augmented Wind Turbine

Authors: Hany El Said Fawaz

Abstract:

This study deals with numerical simulation using a commercial package 'ANSYS FLUENT 14.5' for flow characteristics of a flanged diffuser wind turbine. Influence of geometrical parameters such as flange height, diffuser length, and expansion angle on the lift and drag performance were investigated. As the angle of expansion increases, a considerable flow acceleration through the diffuser occur at expansion angle ranged from 0° and 12° due to the presence of undisturbed streamlines. after that flow circulation is developed near the diffuser outlet and increase with increasing expansion angle which causes a negligible effect of expansion angle. The effect of diffuser length on flow behavior shows that when the diffuser length ratio is less than 1.25, flow acceleration is observed and increased with diffuser length ratio. After this value, the flow field at diffuser outlet is characterized by a recirculation zone. The diffuser flange has an impact effect of the flow behavior as a low pressure zone is developed behind the flange, while a high pressure zone is generated in front of it. As the flange height increase, the intensity of both low and high pressure regions increase which tend to accelerate the flow inside the diffuser till flange height ratio reaches to 0.75.

Keywords: wind turbine, flanged diffuser, expansion angle, diffuser length

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5715 Direct Measurements of the Electrocaloric Effect in Solid Ferroelectric Materials via Thermoreflectance

Authors: Layla Farhat, Mathieu Bardoux, Stéphane Longuemart, Ziad Herro, Abdelhak Hadj Sahraoui

Abstract:

Electrocaloric (EC) effect refers to the isothermal entropy or adiabatic temperature changes of a dielectric material induced by an external electric field. This phenomenon has been largely ignored for application because only modest EC effects (2.6

Keywords: electrocaloric effect, thermoreflectance, ferroelectricity, cooling system

Procedia PDF Downloads 160
5714 Parametric Study of Underground Opening Stability under Uncertainty Conditions

Authors: Aram Yakoby, Yossef H. Hatzor, Shmulik Pinkert

Abstract:

This work presents an applied engineering method for evaluating the stability of underground openings under conditions of uncertainty. The developed method is demonstrated by a comprehensive parametric study on a case of large-diameter vertical borehole stability analysis, with uncertainties regarding the in-situ stress distribution. To this aim, a safety factor analysis is performed for the stability of both supported and unsupported boreholes. In the analysis, we used analytic geomechanical calculations and advanced numerical modeling to evaluate the estimated stress field. In addition, the work presents the development of a boundary condition for the numerical model that fits the nature of the problem and yields excellent accuracy. The borehole stability analysis is studied in terms of (1) the stress ratio in the vertical and horizontal directions, (2) the mechanical properties and geometry of the support system, and (3) the parametric sensitivity. The method's results are studied in light of a real case study of an underground waste disposal site. The conclusions of this study focus on the developed method for capturing the parametric uncertainty, the definition of critical geological depths, the criteria for implementing structural support, and the effectiveness of further in-situ investigations.

Keywords: borehole stability, in-situ stress, parametric study, factor of safety

Procedia PDF Downloads 43
5713 Electrohydrodynamic Study of Microwave Plasma PECVD Reactor

Authors: Keltoum Bouherine, Olivier Leroy

Abstract:

The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.

Keywords: electron density, electric field, microwave plasma reactor, gas velocity, non-equilibrium plasma

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5712 Television, Internet, and Internet Social Media Direct-To-Consumer Prescription Medication Advertisements: Intention and Behavior to Seek Additional Prescription Medication Information

Authors: Joshua Fogel, Rivka Herzog

Abstract:

Although direct-to-consumer prescription medication advertisements (DTCA) are viewed or heard in many venues, there does not appear to be any research for internet social media DTCA. We study the association of traditional media DTCA and digital media DTCA including internet social media of YouTube, Facebook, and Twitter with three different outcomes. There was one intentions outcome and two different behavior outcomes. The intentions outcome was the agreement level for seeking additional information about a prescription medication after seeing a DTCA. One behavior outcome was the agreement level for obtaining additional information about a prescription medication after seeing a DTCA. The other behavior outcome was the frequency level for obtaining additional information about a prescription medication after seeing a DTCA. Surveys were completed by 635 college students. Predictors included demographic variables, theory of planned behavior variables, health variables, and advertisements seen or heard. Also, in the behavior analyses, additional predictors of intentions and sources for seeking additional prescription drug information were included. Multivariate linear regression analyses were conducted. We found that increased age was associated with increased behavior, women were associated with increased intentions, and Hispanic race/ethnicity was associated with decreased behavior. For the theory of planned behavior variables, increased attitudes were associated with increased intentions, increased social norms were associated with increased intentions and behavior, and increased intentions were associated with increased behavior. Very good perceived health was associated with increased intentions. Advertisements seen in spam mail were associated with decreased intentions. Advertisements seen on traditional or cable television were associated with decreased behavior. Advertisements seen on television watched on the internet were associated with increased behavior. The source of seeking additional information of reading internet print content was associated with increased behavior. No internet social media advertisements were associated with either intentions or behavior. In conclusion, pharmaceutical brand managers and marketers should consider these findings when tailoring their DTCA advertising campaigns and directing their DTCA advertising budget towards young adults such as college students. They need to reconsider the current approach for traditional television DTCA and also consider dedicating a larger advertising budget toward internet television DTCA. Although internet social media is a popular place to advertise, the financial expenditures do not appear worthwhile for DTCA when targeting young adults such as college students.

Keywords: brand managers, direct-to-consumer advertising, internet, social media

Procedia PDF Downloads 244
5711 Lignin Valorization: Techno-Economic Analysis of Three Lignin Conversion Routes

Authors: Iris Vural Gursel, Andrea Ramirez

Abstract:

Effective utilization of lignin is an important mean for developing economically profitable biorefineries. Current literature suggests that large amounts of lignin will become available in second generation biorefineries. New conversion technologies will, therefore, be needed to carry lignin transformation well beyond combustion to produce energy, but towards high-value products such as chemicals and transportation fuels. In recent years, significant progress on catalysis has been made to improve transformation of lignin, and new catalytic processes are emerging. In this work, a techno-economic assessment of two of these novel conversion routes and comparison with more established lignin pyrolysis route were made. The aim is to provide insights into the potential performance and potential hotspots in order to guide the experimental research and ease the commercialization by early identifying cost drivers, strengths, and challenges. The lignin conversion routes selected for detailed assessment were: (non-catalytic) lignin pyrolysis as the benchmark, direct hydrodeoxygenation (HDO) of lignin and hydrothermal lignin depolymerisation. Products generated were mixed oxygenated aromatic monomers (MOAMON), light organics, heavy organics, and char. For the technical assessment, a basis design followed by process modelling in Aspen was done using experimental yields. A design capacity of 200 kt/year lignin feed was chosen that is equivalent to a 1 Mt/y scale lignocellulosic biorefinery. The downstream equipment was modelled to achieve the separation of the product streams defined. For determining external utility requirement, heat integration was considered and when possible gasses were combusted to cover heating demand. The models made were used in generating necessary data on material and energy flows. Next, an economic assessment was carried out by estimating operating and capital costs. Return on investment (ROI) and payback period (PBP) were used as indicators. The results of the process modelling indicate that series of separation steps are required. The downstream processing was found especially demanding in the hydrothermal upgrading process due to the presence of significant amount of unconverted lignin (34%) and water. Also, external utility requirements were found to be high. Due to the complex separations, hydrothermal upgrading process showed the highest capital cost (50 M€ more than benchmark). Whereas operating costs were found the highest for the direct HDO process (20 M€/year more than benchmark) due to the use of hydrogen. Because of high yields to valuable heavy organics (32%) and MOAMON (24%), direct HDO process showed the highest ROI (12%) and the shortest PBP (5 years). This process is found feasible with a positive net present value. However, it is very sensitive to the prices used in the calculation. The assessments at this stage are associated with large uncertainties. Nevertheless, they are useful for comparing alternatives and identifying whether a certain process should be given further consideration. Among the three processes investigated here, the direct HDO process was seen to be the most promising.

Keywords: biorefinery, economic assessment, lignin conversion, process design

Procedia PDF Downloads 246
5710 Stable Time Reversed Integration of the Navier-Stokes Equation Using an Adjoint Gradient Method

Authors: Jurriaan Gillissen

Abstract:

This work is concerned with stabilizing the numerical integration of the Navier-Stokes equation (NSE), backwards in time. Applications involve the detection of sources of, e.g., sound, heat, and pollutants. Stable reverse numerical integration of parabolic differential equations is also relevant for image de-blurring. While the literature addresses the reverse integration problem of the advection-diffusion equation, the problem of numerical reverse integration of the NSE has, to our knowledge, not yet been addressed. Owing to the presence of viscosity, the NSE is irreversible, i.e., when going backwards in time, the fluid behaves, as if it had a negative viscosity. As an effect, perturbations from the perfect solution, due to round off errors or discretization errors, grow exponentially in time, and reverse integration of the NSE is inherently unstable, regardless of using an implicit time integration scheme. Consequently, some sort of filtering is required, in order to achieve a stable, numerical, reversed integration. The challenge is to find a filter with a minimal adverse affect on the accuracy of the reversed integration. In the present work, we explore an adjoint gradient method (AGM) to achieve this goal, and we apply this technique to two-dimensional (2D), decaying turbulence. The AGM solves for the initial velocity field u0 at t = 0, that, when integrated forward in time, produces a final velocity field u1 at t = 1, that is as close as is feasibly possible to some specified target field v1. The initial field u0 defines a minimum of a cost-functional J, that measures the distance between u1 and v1. In the minimization procedure, the u0 is updated iteratively along the gradient of J w.r.t. u0, where the gradient is obtained by transporting J backwards in time from t = 1 to t = 0, using the adjoint NSE. The AGM thus effectively replaces the backward integration by multiple forward and backward adjoint integrations. Since the viscosity is negative in the adjoint NSE, each step of the AGM is numerically stable. Nevertheless, when applied to turbulence, the AGM develops instabilities, which limit the backward integration to small times. This is due to the exponential divergence of phase space trajectories in turbulent flow, which produces a multitude of local minima in J, when the integration time is large. As an effect, the AGM may select unphysical, noisy initial conditions. In order to improve this situation, we propose two remedies. First, we replace the integration by a sequence of smaller integrations, i.e., we divide the integration time into segments, where in each segment the target field v1 is taken as the initial field u0 from the previous segment. Second, we add an additional term (regularizer) to J, which is proportional to a high-order Laplacian of u0, and which dampens the gradients of u0. We show that suitable values for the segment size and for the regularizer, allow a stable reverse integration of 2D decaying turbulence, with accurate results for more then O(10) turbulent, integral time scales.

Keywords: time reversed integration, parabolic differential equations, adjoint gradient method, two dimensional turbulence

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5709 A Numerical Study on Electrophoresis of a Soft Particle with Charged Core Coated with Polyelectrolyte Layer

Authors: Partha Sarathi Majee, S. Bhattacharyya

Abstract:

Migration of a core-shell soft particle under the influence of an external electric field in an electrolyte solution is studied numerically. The soft particle is coated with a positively charged polyelectrolyte layer (PEL) and the rigid core is having a uniform surface charge density. The Darcy-Brinkman extended Navier-Stokes equations are solved for the motion of the ionized fluid, the non-linear Nernst-Planck equations for the ion transport and the Poisson equation for the electric potential. A pressure correction based iterative algorithm is adopted for numerical computations. The effects of convection on double layer polarization (DLP) and diffusion dominated counter ions penetration are investigated for a wide range of Debye layer thickness, PEL fixed surface charge density, and permeability of the PEL. Our results show that when the Debye layer is in order of the particle size, the DLP effect is significant and produces a reduction in electrophoretic mobility. However, the double layer polarization effect is negligible for a thin Debye layer or low permeable cases. The point of zero mobility and the existence of mobility reversal depending on the electrolyte concentration are also presented.

Keywords: debye length, double layer polarization, electrophoresis, mobility reversal, soft particle

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5708 Vibration Behavior of Nanoparticle Delivery in a Single-Walled Carbon Nanotube Using Nonlocal Timoshenko Beam Theory

Authors: Haw-Long Lee, Win-Jin Chang, Yu-Ching Yang

Abstract:

In the paper, the coupled equation of motion for the dynamic displacement of a fullerene moving in a (10,10) single-walled carbon nanotube (SWCNT) is derived using nonlocal Timoshenko beam theory, including the effects of rotary inertia and shear deformation. The effects of confined stiffness between the fullerene and nanotube, foundation stiffness, and nonlocal parameter on the dynamic behavior are analyzed using the Runge-Kutta Method. The numerical solution is in agreement with the analytical result for the special case. The numerical results show that increasing the confined stiffness and foundation stiffness decrease the dynamic displacement of SWCNT. However, the dynamic displacement increases with increasing the nonlocal parameter. In addition, result using the Euler beam theory and the Timoshenko beam theory are compared. It can be found that ignoring the effects of rotary inertia and shear deformation leads to an underestimation of the displacement.

Keywords: single-walled carbon nanotube, nanoparticle delivery, Nonlocal Timoshenko beam theory, Runge-Kutta Method, Van der Waals force

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5707 Lamb Waves Propagation in Elastic-Viscoelastic Three-Layer Adhesive Joints

Authors: Pezhman Taghipour Birgani, Mehdi Shekarzadeh

Abstract:

In this paper, the propagation of lamb waves in three-layer joints is investigated using global matrix method. Theoretical boundary value problem in three-layer adhesive joints with perfect bond and traction free boundary conditions on their outer surfaces is solved to find a combination of frequencies and modes with the lowest attenuation. The characteristic equation is derived by applying continuity and boundary conditions in three-layer joints using global matrix method. Attenuation and phase velocity dispersion curves are obtained with numerical solution of this equation by a computer code for a three-layer joint, including an aluminum repair patch bonded to the aircraft aluminum skin by a layer of viscoelastic epoxy adhesive. To validate the numerical solution results of the characteristic equation, wave structure curves are plotted for a special mode in two different frequencies in the adhesive joint. The purpose of present paper is to find a combination of frequencies and modes with minimum attenuation in high and low frequencies. These frequencies and modes are recognizable by transducers in inspections with Lamb waves because of low attenuation level.

Keywords: three-layer adhesive joints, viscoelastic, lamb waves, global matrix method

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5706 Structural Strength Evaluation and Wear Prediction of Double Helix Steel Wire Ropes for Heavy Machinery

Authors: Krunal Thakar

Abstract:

Wire ropes combine high tensile strength and flexibility as compared to other general steel products. They are used in various application areas such as cranes, mining, elevators, bridges, cable cars, etc. The earliest reported use of wire ropes was for mining hoist application in 1830s. Over the period, there have been substantial advancement in the design of wire ropes for various application areas. Under operational conditions, wire ropes are subjected to varying tensile loads and bending loads resulting in material wear and eventual structural failure due to fretting fatigue. The conventional inspection methods to determine wire failure is only limited to outer wires of rope. However, till date, there is no effective mathematical model to examine the inter wire contact forces and wear characteristics. The scope of this paper is to present a computational simulation technique to evaluate inter wire contact forces and wear, which are in many cases responsible for rope failure. Two different type of ropes, IWRC-6xFi(29) and U3xSeS(48) were taken for structural strength evaluation and wear prediction. Both ropes have a double helix twisted wire profile as per JIS standards and are mainly used in cranes. CAD models of both ropes were developed in general purpose design software using in house developed formulation to generate double helix profile. Numerical simulation was done under two different load cases (a) Axial Tension and (b) Bending over Sheave. Different parameters such as stresses, contact forces, wear depth, load-elongation, etc., were investigated and compared between both ropes. Numerical simulation method facilitates the detailed investigation of inter wire contact and wear characteristics. In addition, various selection parameters like sheave diameter, rope diameter, helix angle, swaging, maximum load carrying capacity, etc., can be quickly analyzed.

Keywords: steel wire ropes, numerical simulation, material wear, structural strength, axial tension, bending over sheave

Procedia PDF Downloads 139
5705 Reconstruction and Rejection of External Disturbances in a Dynamical System

Authors: Iftikhar Ahmad, A. Benallegue, A. El Hadri

Abstract:

In this paper, we have proposed an observer for the reconstruction and a control law for the rejection application of unknown bounded external disturbance in a dynamical system. The strategy of both the observer and the controller is designed like a second order sliding mode with a proportional-integral (PI) term. Lyapunov theory is used to prove the exponential convergence and stability. Simulations results are given to show the performance of this method.

Keywords: non-linear systems, sliding mode observer, disturbance rejection, nonlinear control

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5704 Cyber Violence Behaviors Among Social Media Users in Ghana: An Application of Self-Control Theory and Social Learning Theory

Authors: Aisha Iddrisu

Abstract:

The proliferation of cyberviolence in the wave of increased social media consumption calls for immediate attention both at the local and global levels. With over 4.70 billion social media users worldwide and 8.8 social media users in Ghana, various forms of violence have become the order of the day in most countries and communities. Cyber violence is defined as producing, retrieving, and sharing of hurtful or dangerous online content to cause emotional, psychological, or physical harm. The urgency and severity of cyber violence have led to the enactment of laws in various countries though lots still need to be done, especially in Ghana. In Ghana, studies on cyber violence have not been extensively dealt with. Existing studies concentrate only on one form or the other form of cyber violence, thus cybercrime and cyber bullying. Also, most studies in Africa have not explored cyber violence forms using empirical theories and the few that existed were qualitatively researched, whereas others examine the effect of cyber violence rather than examining why those who involve in it behave the way they behave. It is against this backdrop that this study aims to examine various cyber violence behaviour among social media users in Ghana by applying the theory of Self-control and Social control theory. This study is important for the following reasons. The outcome of this research will help at both national and international level of policymaking by adding to the knowledge of understanding cyberviolence and why people engage in various forms of cyberviolence. It will also help expose other ways by which such behaviours are enforced thereby serving as a guide in the enactment of the rightful rules and laws to curb such behaviours. It will add to literature on consequences of new media. This study seeks to confirm or reject to the following research hypotheses. H1 Social media usage has direct significant effect of cyberviolence behaviours. H2 Ineffective parental management has direct significant positive relation to Low self-control. H3 Low self-control has direct significant positive effect on cyber violence behaviours among social, H4 Differential association has significant positive effect on cyberviolence behaviour among social media users in Ghana. H5 Definitions have a significant positive effect on cyberviolence behaviour among social media users in Ghana. H6 Imitation has a significant positive effect on cyberviolence behaviour among social media users in Ghana. H7 Differential reinforcement has a significant positive effect on cyberviolence behaviour among social media users in Ghana. H8 Differential association has a significant positive effect on definitions. H9 Differential association has a significant positive effect on imitation. H10 Differential association has a significant positive effect on differential reinforcement. H11 Differential association has significant indirect positive effects on cyberviolence through the learning process.

Keywords: cyberviolence, social media users, self-control theory, social learning theory

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5703 Modeling and Performance Analysis of an Air-Cooled Absorption Chiller

Authors: A. Roukbi, B. Draoui

Abstract:

Due to the high cost and the environmental problems caused by the conventional air-conditioning systems, various researches are being increasingly focused on thermal comfort in the building sector integrating renewable energy sources, particularly solar energy. For that purpose, this study aims to present a modeling and performance analysis of a direct air-cooled Water/LiBr absorption chiller. The chiller is considered to be coupled to a small residential building at an arid zone situated in south Algeria. The system is modeled with TRNSYS simulation program. The main objective is to study the feasibility of the chosen system in arid zones and to apply a simplified method to predict the performance of the system by mean of the characteristic equation approach tacking in account the influence of the climatic conditions of the considered site, the collector area and storage volume of the hot water tank on the performance of the installation. First, the results of the system modeling are compared with an experimental data from the open literature and the developed model is then validated. In another hand, a parametric study is performed to analyze the performance of the direct air-cooled absorption chiller at the operating conditions of interest for the present study. Thus, the obtained results has shown that the studied system can present a good alternative for cooling systems in arid zones since the cooling load is roughly in phase with solar availability.

Keywords: absorption chiller, air-cooled, arid zone, thermal comfort

Procedia PDF Downloads 216
5702 Design of Large Parallel Underground Openings in Himalayas: A Case Study of Desilting Chambers for Punatsangchhu-I, Bhutan

Authors: Kanupreiya, Rajani Sharma

Abstract:

Construction of a single underground structure is itself a challenging task, and it becomes more critical in tectonically active young mountains such as the Himalayas which are highly anisotropic. The Himalayan geology mostly comprises of incompetent and sheared rock mass in addition to fold/faults, rock burst, and water ingress. Underground tunnels form the most essential and important structure in run-of-river hydroelectric projects. Punatsangchhu I hydroelectric project (PHEP-I), Bhutan (1200 MW) is a run-of-river scheme which has four parallel underground desilting chambers. The Punatsangchhu River carries a large quantity of silt load during monsoon season. Desilting chambers were provided to remove the silt particles of size greater than and equal to 0.2 mm with 90% efficiency, thereby minimizing the rate of damage to turbines. These chambers are 330 m long, 18 m wide at the center and 23.87 m high, with a 5.87 m hopper portion. The geology of desilting chambers was known from an exploratory drift which exposed low dipping foliation joint and six joint sets. The RMR and Q value in this reach varied from 40 to 60 and 1 to 6 respectively. This paper describes different rock engineering principles undertaken for safe excavation and rock support of the moderately jointed, blocky and thinly foliated biotite gneiss. For the design of rock support system of desilting chambers, empirical and numerical analysis was adopted. Finite element analysis was carried out for cavern design and finalization of pillar width using Phase2. Phase2 is a powerful tool for simulation of stage-wise excavation with simultaneous provision of support system. As the geology of the region had 7 sets of joints, in addition to FEM based approach, safety factors for potentially unstable wedges were checked using UnWedge. The final support recommendations were based on continuous face mapping, numerical modelling, empirical calculations, and practical experiences.

Keywords: dam siltation, Himalayan geology, hydropower, rock support, numerical modelling

Procedia PDF Downloads 77
5701 Optimized Passive Heating for Multifamily Dwellings

Authors: Joseph Bostick

Abstract:

A method of decreasing the heating load of HVAC systems in a single-dwelling model of a multifamily building, by controlling movable insulation through the optimization of flux, time, surface incident solar radiation, and temperature thresholds. Simulations are completed using a co-simulation between EnergyPlus and MATLAB as an optimization tool to find optimal control thresholds. Optimization of the control thresholds leads to a significant decrease in total heating energy expenditure.

Keywords: energy plus, MATLAB, simulation, energy efficiency

Procedia PDF Downloads 153
5700 An Evolutionary Approach for Automated Optimization and Design of Vivaldi Antennas

Authors: Sahithi Yarlagadda

Abstract:

The design of antenna is constrained by mathematical and geometrical parameters. Though there are diverse antenna structures with wide range of feeds yet, there are many geometries to be tried, which cannot be customized into predefined computational methods. The antenna design and optimization qualify to apply evolutionary algorithmic approach since the antenna parameters weights dependent on geometric characteristics directly. The evolutionary algorithm can be explained simply for a given quality function to be maximized. We can randomly create a set of candidate solutions, elements of the function's domain, and apply the quality function as an abstract fitness measure. Based on this fitness, some of the better candidates are chosen to seed the next generation by applying recombination and permutation to them. In conventional approach, the quality function is unaltered for any iteration. But the antenna parameters and geometries are wide to fit into single function. So, the weight coefficients are obtained for all possible antenna electrical parameters and geometries; the variation is learnt by mining the data obtained for an optimized algorithm. The weight and covariant coefficients of corresponding parameters are logged for learning and future use as datasets. This paper drafts an approach to obtain the requirements to study and methodize the evolutionary approach to automated antenna design for our past work on Vivaldi antenna as test candidate. The antenna parameters like gain, directivity, etc. are directly caged by geometries, materials, and dimensions. The design equations are to be noted here and valuated for all possible conditions to get maxima and minima for given frequency band. The boundary conditions are thus obtained prior to implementation, easing the optimization. The implementation mainly aimed to study the practical computational, processing, and design complexities that incur while simulations. HFSS is chosen for simulations and results. MATLAB is used to generate the computations, combinations, and data logging. MATLAB is also used to apply machine learning algorithms and plotting the data to design the algorithm. The number of combinations is to be tested manually, so HFSS API is used to call HFSS functions from MATLAB itself. MATLAB parallel processing tool box is used to run multiple simulations in parallel. The aim is to develop an add-in to antenna design software like HFSS, CSTor, a standalone application to optimize pre-identified common parameters of wide range of antennas available. In this paper, we have used MATLAB to calculate Vivaldi antenna parameters like slot line characteristic impedance, impedance of stripline, slot line width, flare aperture size, dielectric and K means, and Hamming window are applied to obtain the best test parameters. HFSS API is used to calculate the radiation, bandwidth, directivity, and efficiency, and data is logged for applying the Evolutionary genetic algorithm in MATLAB. The paper demonstrates the computational weights and Machine Learning approach for automated antenna optimizing for Vivaldi antenna.

Keywords: machine learning, Vivaldi, evolutionary algorithm, genetic algorithm

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5699 Experimental and Numerical Investigation of Heat Transfer in THTL Test Loop Shell and Tube Heat Exchanger

Authors: M. Moody, R. Mahmoodi, A. R. Zolfaghari, A. Aminottojari

Abstract:

In this study, flow inside the shell side of a shell-and-tube heat exchanger is simulated numerically for laminar and turbulent flows in both steady state and transient mode. Governing equations of fluid flow are discrete using finite volume method and central difference scheme and solved with simple algorithm which is staggered grid by using MATLAB programming language. The heat transfer coefficient is obtained using velocity field from equation Dittus-Bolter. In comparison with, heat exchanger is simulated with ANSYS CFX software and experimental data measured in the THTL test loop. Numerical results obtained from the study show good agreement with experimental data and ANSYS CFX results. In addition, by deliberation the effect of the baffle spacing and the baffle cut on the heat transfer rate for turbulent flow, it is illustrated that the heat transfer rate depends on the baffle spacing and the baffle cut directly. In other word in spied of large turbulence, if these two parameters are not selected properly in the heat exchanger, the heat transfer rate can reduce.

Keywords: shell-and-tube heat exchanger, flow and heat transfer, laminar and turbulence flow, turbulence model, baffle spacing, baffle cut

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5698 Numerical Approach to Boost an Internal Combustion Engine

Authors: Mohamed Amine El Hameur, Lyes Tarabet, Mahfoudh Cerdoun, Boubkr Zebiri, Giovanni Ferrara

Abstract:

Due to the drastic environmental and energy regulations regarding the reduction of exhaust emissions and fuel consumption, added to the increasing demand for powerful performance, several automotive manufacturers are constantly obliged to redesign their existing products and/or develop novel powertrain techniques to respond to the aforementioned restrictions. In this aspect, an implemented approach is proposed in the present work to boost a 1.5 L, three-cylinder Diesel engine with a new turbocharger, based on 1D preliminary design codes, 3D design, and numerical assessment of a suitable radial turbine followed by an accurate selection procedure of an adequate centrifugal compressor. Furthermore, to investigate the effect of the turbine’s rotor position on the simulation convergence, stability, and calculation time; two combinations (rotor blade- volute) have been assessed. Consequently, significant results are obtained when comparing the original turbocharged engine and the new one at the engine’s full load and rated speed (@4500rpm) conditions. A maximum improvement in terms of brake-specific fuel consumption, thermal efficiency, total-to-static turbine efficiency, and total-to-total compressor efficiency equal 6.5% (corresponding to a decrease of 2.3 litre/hr in fuel consumption), 7%, 10.9%, and 19.9%, respectively.

Keywords: CFD investigation, engine boosting, turbine design, turbocharger, rotor blade positioning

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5697 Thermal Stress and Computational Fluid Dynamics Analysis of Coatings for High-Temperature Corrosion

Authors: Ali Kadir, O. Anwar Beg

Abstract:

Thermal barrier coatings are among the most popular methods for providing corrosion protection in high temperature applications including aircraft engine systems, external spacecraft structures, rocket chambers etc. Many different materials are available for such coatings, of which ceramics generally perform the best. Motivated by these applications, the current investigation presents detailed finite element simulations of coating stress analysis for a 3- dimensional, 3-layered model of a test sample representing a typical gas turbine component scenario. Structural steel is selected for the main inner layer, Titanium (Ti) alloy for the middle layer and Silicon Carbide (SiC) for the outermost layer. The model dimensions are 20 mm (width), 10 mm (height) and three 1mm deep layers. ANSYS software is employed to conduct three types of analysis- static structural, thermal stress analysis and also computational fluid dynamic erosion/corrosion analysis (via ANSYS FLUENT). The specified geometry which corresponds to corrosion test samples exactly is discretized using a body-sizing meshing approach, comprising mainly of tetrahedron cells. Refinements were concentrated at the connection points between the layers to shift the focus towards the static effects dissipated between them. A detailed grid independence study is conducted to confirm the accuracy of the selected mesh densities. To recreate gas turbine scenarios; in the stress analysis simulations, static loading and thermal environment conditions of up to 1000 N and 1000 degrees Kelvin are imposed. The default solver was used to set the controls for the simulation with the fixed support being set as one side of the model while subjecting the opposite side to a tabular force of 500 and 1000 Newtons. Equivalent elastic strain, total deformation, equivalent stress and strain energy were computed for all cases. Each analysis was duplicated twice to remove one of the layers each time, to allow testing of the static and thermal effects with each of the coatings. ANSYS FLUENT simulation was conducted to study the effect of corrosion on the model under similar thermal conditions. The momentum and energy equations were solved and the viscous heating option was applied to represent improved thermal physics of heat transfer between the layers of the structures. A Discrete Phase Model (DPM) in ANSYS FLUENT was employed which allows for the injection of continuous uniform air particles onto the model, thereby enabling an option for calculating the corrosion factor caused by hot air injection (particles prescribed 5 m/s velocity and 1273.15 K). Extensive visualization of results is provided. The simulations reveal interesting features associated with coating response to realistic gas turbine loading conditions including significantly different stress concentrations with different coatings.

Keywords: thermal coating, corrosion, ANSYS FEA, CFD

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5696 Experimental and Simulation Results for the Removal of H2S from Biogas by Means of Sodium Hydroxide in Structured Packed Columns

Authors: Hamadi Cherif, Christophe Coquelet, Paolo Stringari, Denis Clodic, Laura Pellegrini, Stefania Moioli, Stefano Langè

Abstract:

Biogas is a promising technology which can be used as a vehicle fuel, for heat and electricity production, or injected in the national gas grid. It is storable, transportable, not intermittent and substitutable for fossil fuels. This gas produced from the wastewater treatment by degradation of organic matter under anaerobic conditions is mainly composed of methane and carbon dioxide. To be used as a renewable fuel, biogas, whose energy comes only from methane, must be purified from carbon dioxide and other impurities such as water vapor, siloxanes and hydrogen sulfide. Purification of biogas for this application particularly requires the removal of hydrogen sulfide, which negatively affects the operation and viability of equipment especially pumps, heat exchangers and pipes, causing their corrosion. Several methods are available to eliminate hydrogen sulfide from biogas. Herein, reactive absorption in structured packed column by means of chemical absorption in aqueous sodium hydroxide solutions is considered. This study is based on simulations using Aspen Plus™ V8.0, and comparisons are done with data from an industrial pilot plant treating 85 Nm3/h of biogas which contains about 30 ppm of hydrogen sulfide. The rate-based model approach has been used for simulations in order to determine the efficiencies of separation for different operating conditions. To describe vapor-liquid equilibrium, a γ/ϕ approach has been considered: the Electrolyte NRTL model has been adopted to represent non-idealities in the liquid phase, while the Redlich-Kwong equation of state has been used for the vapor phase. In order to validate the thermodynamic model, Henry’s law constants of each compound in water have been verified against experimental data. Default values available in Aspen Plus™ V8.0 for the properties of pure components properties as heat capacity, density, viscosity and surface tension have also been verified. The obtained results for physical and chemical properties are in a good agreement with experimental data. Reactions involved in the process have been studied rigorously. Equilibrium constants for equilibrium reactions and the reaction rate constant for the kinetically controlled reaction between carbon dioxide and the hydroxide ion have been checked. Results of simulations of the pilot plant purification section show the influence of low temperatures, concentration of sodium hydroxide and hydrodynamic parameters on the selective absorption of hydrogen sulfide. These results show an acceptable degree of accuracy when compared with the experimental data obtained from the pilot plant. Results show also the great efficiency of sodium hydroxide for the removal of hydrogen sulfide. The content of this compound in the gas leaving the column is under 1 ppm.

Keywords: biogas, hydrogen sulfide, reactive absorption, sodium hydroxide, structured packed column

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5695 Chebyshev Collocation Method for Solving Heat Transfer Analysis for Squeezing Flow of Nanofluid in Parallel Disks

Authors: Mustapha Rilwan Adewale, Salau Ayobami Muhammed

Abstract:

This study focuses on the heat transfer analysis of magneto-hydrodynamics (MHD) squeezing flow between parallel disks, considering a viscous incompressible fluid. The upper disk exhibits both upward and downward motion, while the lower disk remains stationary but permeable. By employing similarity transformations, a system of nonlinear ordinary differential equations is derived to describe the flow behavior. To solve this system, a numerical approach, namely the Chebyshev collocation method, is utilized. The study investigates the influence of flow parameters and compares the obtained results with existing literature. The significance of this research lies in understanding the heat transfer characteristics of MHD squeezing flow, which has practical implications in various engineering and industrial applications. By employing the similarity transformations, the complex governing equations are simplified into a system of nonlinear ordinary differential equations, facilitating the analysis of the flow behavior. To obtain numerical solutions for the system, the Chebyshev collocation method is implemented. This approach provides accurate approximations for the nonlinear equations, enabling efficient computations of the heat transfer properties. The obtained results are compared with existing literature, establishing the validity and consistency of the numerical approach. The study's major findings shed light on the influence of flow parameters on the heat transfer characteristics of the squeezing flow. The analysis reveals the impact of parameters such as magnetic field strength, disk motion amplitude, fluid viscosity on the heat transfer rate between the disks, the squeeze number(S), suction/injection parameter(A), Hartman number(M), Prandtl number(Pr), modified Eckert number(Ec), and the dimensionless length(δ). These findings contribute to a comprehensive understanding of the system's behavior and provide insights for optimizing heat transfer processes in similar configurations. In conclusion, this study presents a thorough heat transfer analysis of magneto-hydrodynamics squeezing flow between parallel disks. The numerical solutions obtained through the Chebyshev collocation method demonstrate the feasibility and accuracy of the approach. The investigation of flow parameters highlights their influence on heat transfer, contributing to the existing knowledge in this field. The agreement of the results with previous literature further strengthens the reliability of the findings. These outcomes have practical implications for engineering applications and pave the way for further research in related areas.

Keywords: squeezing flow, magneto-hydro-dynamics (MHD), chebyshev collocation method(CCA), parallel manifolds, finite difference method (FDM)

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5694 Time Integrated Measurements of Radon and Thoron Progeny Concentration in Various Dwellings of Bathinda District of Punjab Using Deposition Based Progeny Sensors

Authors: Kirandeep Kaur, Rohit Mehra, Pargin Bangotra

Abstract:

Radon and thoron are pervasive radioactive gases and so are their progenies. The progenies of radon and thoron are present in the indoor atmosphere as attached/unattached fractions. In the present work, seasonal variation of concentration of attached and total (attached + unattached) nanosized decay products of indoor radon and thoron has been studied in the dwellings of Bathinda District of Punjab using Deposition based progeny sensors over long integrated times, which are independent of air turbulence. The preliminary results of these measurements are reported particularly regarding DTPS (Direct Thoron Progeny Sensor) and DRPS (Direct Radon Progeny Sensor) for the first time in Bathinda. It has been observed that there is a strong linear relationship in total EERC (Equilibrium Equivalent Radon Concentration) and EETC (Equilibrium Equivalent Thoron Concentration) in rainy season (R2 = 0.83). Further a strong linear relation between total indoor radon concentration and attached fraction has also been observed for the same rainy season (R2= 0.91). The concentration of attached progeny of radon (EERCatt) is 76.3 % of the total Equilibrium Equivalent Radon Concentration (EERC).

Keywords: radon, thoron, progeny, DTPS/DRPS, EERC, EETC, seasonal variation

Procedia PDF Downloads 398
5693 Quality Evaluation of Backfill Grout in Tunnel Boring Machine Tail Void Using Impact-Echo (IE): Short-Time Fourier Transform (STFT) Numerical Analysis

Authors: Ju-Young Choi, Ki-Il Song, Kyoung-Yul Kim

Abstract:

During Tunnel Boring Machine (TBM) tunnel excavation, backfill grout should be injected after the installation of segment lining to ensure the stability of the tunnel and to minimize ground deformation. If grouting is not sufficient to fill the gap between the segments and rock mass, hydraulic pressures occur in the void, which can negatively influence the stability of the tunnel. Recently the tendency to use TBM tunnelling method to replace the drill and blast(NATM) method is increasing. However, there are only a few studies of evaluation of backfill grout. This study evaluates the TBM tunnel backfill state using Impact-Echo(IE). 3-layers, segment-grout-rock mass, are simulated by FLAC 2D, FDM-based software. The signals obtained from numerical analysis and IE test are analyzed by Short-Time Fourier Transform(STFT) in time domain, frequency domain, and time-frequency domain. The result of this study can be used to evaluate the quality of backfill grouting in tail void.

Keywords: tunnel boring machine, backfill grout, impact-echo method, time-frequency domain analysis, finite difference method

Procedia PDF Downloads 247
5692 Bridging the Educational Gap: A Curriculum Framework for Mass Timber Construction Education and Comparative Analysis of Physical vs. Virtual Prototypes in Construction Management

Authors: Farnaz Jafari

Abstract:

The surge in mass timber construction represents a pivotal moment in sustainable building practices, yet the lack of comprehensive education in construction management poses a challenge in harnessing this innovation effectively. This research endeavors to bridge this gap by developing a curriculum framework integrating mass timber construction into undergraduate and industry certificate programs. To optimize learning outcomes, the study explores the impact of two prototype formats -Virtual Reality (VR) simulations and physical mock-ups- on students' understanding and skill development. The curriculum framework aims to equip future construction managers with a holistic understanding of mass timber, covering its unique properties, construction methods, building codes, and sustainable advantages. The study adopts a mixed-methods approach, commencing with a systematic literature review and leveraging surveys and interviews with educators and industry professionals to identify existing educational gaps. The iterative development process involves incorporating stakeholder feedback into the curriculum. The evaluation of prototype impact employs pre- and post-tests administered to participants engaged in pilot programs. Through qualitative content analysis and quantitative statistical methods, the study seeks to compare the effectiveness of VR simulations and physical mock-ups in conveying knowledge and skills related to mass timber construction. The anticipated findings will illuminate the strengths and weaknesses of each approach, providing insights for future curriculum development. The curriculum's expected contribution to sustainable construction education lies in its emphasis on practical application, bridging the gap between theoretical knowledge and hands-on skills. The research also seeks to establish a standard for mass timber construction education, contributing to the field through a unique comparative analysis of VR simulations and physical mock-ups. The study's significance extends to the development of best practices and evidence-based recommendations for integrating technology and hands-on experiences in construction education. By addressing current educational gaps and offering a comparative analysis, this research aims to enrich the construction management education experience and pave the way for broader adoption of sustainable practices in the industry. The envisioned curriculum framework is designed for versatile integration, catering to undergraduate programs and industry training modules, thereby enhancing the educational landscape for aspiring construction professionals. Ultimately, this study underscores the importance of proactive educational strategies in preparing industry professionals for the evolving demands of the construction landscape, facilitating a seamless transition towards sustainable building practices.

Keywords: curriculum framework, mass timber construction, physical vs. virtual prototypes, sustainable building practices

Procedia PDF Downloads 47
5691 Exploring Enabling Effects of Organizational Climate on Academicians’ Emotional Intelligence and Learning Outcomes: A Case from Chinese Higher Education

Authors: Zahid Shafait, Jiayu Huang

Abstract:

Purpose: This study is based on a trait-based theory of emotional intelligence. This study intends to explore the enabling effect of organizational climate, i.e., affiliation, innovation, and fairness, on the emotional intelligence of teachers in Chinese higher education institutes. This study, additionally, intends to investigate the direct impact of teachers’ emotional intelligence on their learning outcomes, i.e., cognitive, social, self-growth outcomes and satisfaction with the university experience. Design/methodology/approach: This study utilized quantitative research techniques to scrutinize the data. Moreover, partial least squares structural equation modeling, i.e., PLS-SEM, was used to assess the hypothetical relationships to conclude their statistical significance. Findings: Results confirmed the supposed associations, i.e., the organizational climate has an enabling effect on emotional intelligence. Likewise, emotional intelligence was concluded to have a direct and positive association with learning outcomes in higher education. Practical implications: This study has investigated abandoned research that is enabling the effects of organizational climate on teachers’ emotional intelligence in Chinese higher education. Organizational climate enables emotionally intelligent teachers to learn efficiently and, at the same time, augments their satisfaction and productivity within an institution. Originality/value: This study investigated the enabling effects of organizational climate on teachers’ emotional intelligence in Chinese higher education that is original in investigated country and sector.

Keywords: organizational climate, emotional intelligence, learning outcomes, higher education

Procedia PDF Downloads 55
5690 The Use of Random Set Method in Reliability Analysis of Deep Excavations

Authors: Arefeh Arabaninezhad, Ali Fakher

Abstract:

Since the deterministic analysis methods fail to take system uncertainties into account, probabilistic and non-probabilistic methods are suggested. Geotechnical analyses are used to determine the stress and deformation caused by construction; accordingly, many input variables which depend on ground behavior are required for geotechnical analyses. The Random Set approach is an applicable reliability analysis method when comprehensive sources of information are not available. Using Random Set method, with relatively small number of simulations compared to fully probabilistic methods, smooth extremes on system responses are obtained. Therefore random set approach has been proposed for reliability analysis in geotechnical problems. In the present study, the application of random set method in reliability analysis of deep excavations is investigated through three deep excavation projects which were monitored during the excavating process. A finite element code is utilized for numerical modeling. Two expected ranges, from different sources of information, are established for each input variable, and a specific probability assignment is defined for each range. To determine the most influential input variables and subsequently reducing the number of required finite element calculations, sensitivity analysis is carried out. Input data for finite element model are obtained by combining the upper and lower bounds of the input variables. The relevant probability share of each finite element calculation is determined considering the probability assigned to input variables present in these combinations. Horizontal displacement of the top point of excavation is considered as the main response of the system. The result of reliability analysis for each intended deep excavation is presented by constructing the Belief and Plausibility distribution function (i.e. lower and upper bounds) of system response obtained from deterministic finite element calculations. To evaluate the quality of input variables as well as applied reliability analysis method, the range of displacements extracted from models has been compared to the in situ measurements and good agreement is observed. The comparison also showed that Random Set Finite Element Method applies to estimate the horizontal displacement of the top point of deep excavation. Finally, the probability of failure or unsatisfactory performance of the system is evaluated by comparing the threshold displacement with reliability analysis results.

Keywords: deep excavation, random set finite element method, reliability analysis, uncertainty

Procedia PDF Downloads 250
5689 Wave Pressure Metering with the Specific Instrument and Measure Description Determined by the Shape and Surface of the Instrument including the Number of Sensors and Angle between Them

Authors: Branimir Jurun, Elza Jurun

Abstract:

Focus of this paper is description and functioning manner of the instrument for wave pressure metering. Moreover, an essential component of this paper is the proposal of a metering unit for the direct wave pressure measurement determined by the shape and surface of the instrument including the number of sensors and angle between them. Namely, far applied instruments by means of height, length, direction, wave time period and other components determine wave pressure on a particular area. This instrument, allows the direct measurement i.e. measurement without additional calculation, of the wave pressure expressed in a standardized unit of measure. That way the instrument has a standardized form, surface, number of sensors and the angle between them. In addition, it is made with the status that follows the wave and always is on the water surface. Database quality which is listed by the instrument is made possible by using the Arduino chip. This chip is programmed for receiving by two data from each of the sensors each second. From these data by a pre-defined manner a unique representative value is estimated. By this procedure all relevant wave pressure measurement results are directly and immediately registered. Final goal of establishing such a rich database is a comprehensive statistical analysis that ranges from multi-criteria analysis across different modeling and parameters testing to hypothesis accepting relating to the widest variety of man-made activities such as filling of beaches, security cages for aquaculture, bridges construction.

Keywords: instrument, metering, water, waves

Procedia PDF Downloads 245
5688 Delegation or Assignment: Registered Nurses’ Ambiguity in Interpreting Their Scope of Practice in Long Term Care Settings

Authors: D. Mulligan, D. Casey

Abstract:

Introductory Statement: Delegation is when a registered nurse (RN) transfers a task or activity that is normally within their scope of practice to another person (delegatee). RN delegation is common practice with unregistered staff, e.g., student nurses and health care assistants (HCAs). As the role of the HCA is increasingly embedded as a direct care and support role, especially in long-term residential care for older adults, there is RN uncertainty as to their role as a delegator. The assignment is when a task is transferred to a person that is within the role specification of the delegatee. RNs in long-term care (LTC) for older people are increasingly working in teams where there are less RNs and more HCAs providing direct care to the residents. The RN is responsible and accountable for their decision to delegate and assign tasks to HCAs. In an interpretive, multiple case studies to explore how delegation of tasks by RNs to HCAs occurred in long-term care settings in Ireland the importance of the RN understanding their scope of practice emerged. Methodology: Focus group interviews and individual interviews were undertaken as part of a multiple case study. Both cases, anonymized as Case A and Case B, were within the public health service in Ireland. The case study sites were long-term care settings for older adults located in different social care divisions, and in different geographical areas. Four focus group interviews with staff nurses and three individual interviews with CNMs were undertaken. The interactive data analysis approach was the analytical framework used, with within-case and cross-case analysis. The theoretical lens of organizational role theory, applying the role episode model (REM), was used to understand, interpret, and explain the findings. Study Findings: RNs and CNMs understood the role of the nurse regulator and the scope of practice. RNs understood that the RN was accountable for the care and support provided to residents. However, RNs and CNM2s could not describe delegation in the context of their scope of practice. In both cases, the RNs did not have a standardized process for assessing HCA competence to undertake nursing tasks or interventions. RNs did not routinely supervise HCAs. Tasks were assigned and not delegated. There were differences between the cases in relation to understanding which nursing tasks required delegation. HCAs in Case A undertook clinical vital sign assessments and documentation. HCAs in Case B did not routinely undertake these activities. Delegation and assignment were influenced by the organizational factors, e.g., model of care, absence of delegation policies, inadequate RN education on delegation, and a lack of RN and HCA role clarity. Concluding Statement: Nurse staffing levels and skill mix in long-term care settings continue to change with more HCAs providing more direct care and support. With decreasing RN staffing levels RNs will be required to delegate and assign more direct care to HCAs. There is a requirement to distinguish between RN assignment and delegation at policy, regulation, and organizational levels.

Keywords: assignment, delegation, registered nurse, scope of practice

Procedia PDF Downloads 135
5687 Shock-Induced Densification in Glass Materials: A Non-Equilibrium Molecular Dynamics Study

Authors: Richard Renou, Laurent Soulard

Abstract:

Lasers are widely used in glass material processing, from waveguide fabrication to channel drilling. The gradual damage of glass optics under UV lasers is also an important issue to be addressed. Glass materials (including metallic glasses) can undergo a permanent densification under laser-induced shock loading. Despite increased interest on interactions between laser and glass materials, little is known about the structural mechanisms involved under shock loading. For example, the densification process in silica glasses occurs between 8 GPa and 30 GPa. Above 30 GPa, the glass material returns to the original density after relaxation. Investigating these unusual mechanisms in silica glass will provide an overall better understanding in glass behaviour. Non-Equilibrium Molecular Dynamics simulations (NEMD) were carried out in order to gain insight on the silica glass microscopic structure under shock loading. The shock was generated by the use of a piston impacting the glass material at high velocity (from 100m/s up to 2km/s). Periodic boundary conditions were used in the directions perpendicular to the shock propagation to model an infinite system. One-dimensional shock propagations were therefore studied. Simulations were performed with the STAMP code developed by the CEA. A very specific structure is observed in a silica glass. Oxygen atoms around Silicon atoms are organized in tetrahedrons. Those tetrahedrons are linked and tend to form rings inside the structure. A significant amount of empty cavities is also observed in glass materials. In order to understand how a shock loading is impacting the overall structure, the tetrahedrons, the rings and the cavities were thoroughly analysed. An elastic behaviour was observed when the shock pressure is below 8 GPa. This is consistent with the Hugoniot Elastic Limit (HEL) of 8.8 GPa estimated experimentally for silica glasses. Behind the shock front, the ring structure and the cavity distribution are impacted. The ring volume is smaller, and most cavities disappear with increasing shock pressure. However, the tetrahedral structure is not affected. The elasticity of the glass structure is therefore related to a ring shrinking and a cavity closing. Above the HEL, the shock pressure is high enough to impact the tetrahedral structure. An increasing number of hexahedrons and octahedrons are formed with the pressure. The large rings break to form smaller ones. The cavities are however not impacted as most cavities are already closed under an elastic shock. After the material relaxation, a significant amount of hexahedrons and octahedrons is still observed, and most of the cavities remain closed. The overall ring distribution after relaxation is similar to the equilibrium distribution. The densification process is therefore related to two structural mechanisms: a change in the coordination of silicon atoms and a cavity closing. To sum up, non-equilibrium molecular dynamics were carried out to investigate silica behaviour under shock loading. Analysing the structure lead to interesting conclusions upon the elastic and the densification mechanisms in glass materials. This work will be completed with a detailed study of the mechanism occurring above 30 GPa, where no sign of densification is observed after the material relaxation.

Keywords: densification, molecular dynamics simulations, shock loading, silica glass

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